2,4-dimethyl-6-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

Systemtic Name: 2,4-dimethyl-6-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine Openeye Name: 2,4-dimethyl-6-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine CAS Name: 2,4-dimethyl-6-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]pyrimidine IUPAC Name: 2,4-dimethyl-6-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine Traditional Name: 2,4-dimethyl-6-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]pyrimidine Formula: C21H21N5S2 MolecularWeight: 407.55494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC1=CC(=NC(=N1)C)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C21H21N5S2/c1-15-13-20(23-16(2)22-15)28-21-25-24-19(14-18-9-6-12-27-18)26(21)11-10-17-7-4-3-5-8-17/h3-9,12-13H,10-11,14H2,1-2H3